General Information of the Compound
Compound ID
CP0538593
Compound Name
N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide
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Structure
Formula
C23H18N4O
Molecular Weight
366.424
Canonical SMILES
O=C(NCc1ccc(cc1)-n1ccnc1)c1ccc2c(c1)[nH]c1ccccc21
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InChI
InChI=1S/C23H18N4O/c28-23(25-14-16-5-8-18(9-6-16)27-12-11-24-15-27)17-7-10-20-19-3-1-2-4-21(19)26-22(20)13-17/h1-13,15,26H,14H2,(H,25,28)
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InChIKey
SUODFEDGMQFBNQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4368
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
62.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 134156801
ChEMBL ID
CHEMBL3984748
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04787, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 314 nM
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